Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FF0X003442
EPA CompTox DTXSID9022077

Structure

InChI Key DCNUQRBLZWSGAV-UHFFFAOYSA-N
Smiles O=CN(c1ccccc1)c1ccccc1
InChI
InChI=1S/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11N1O1
Molecular Weight 197.08
AlogP 2.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 607-00-1
NORMAN SUSDAT
FDA SRS FF0X003442
PubChem 69081
ChemSpider 62300.0